CID 3057790

Isoquinoline, 1,2,3,4-tetrahydro-8-(2-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H23NO
SMILES
COC1=CC=CC=C1C2=CC=CC3=C2CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C23H23NO/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3
InChIKey
BIOIKPNQLUHHLY-UHFFFAOYSA-N
Compound name
2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

329.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18526 182.2
[M+Na]+ 352.16720 199.9
[M+NH4]+ 347.21180 192.3
[M+K]+ 368.14114 188.6
[M-H]- 328.17070 190.5
[M+Na-2H]- 350.15265 193.6
[M]+ 329.17743 187.5
[M]- 329.17853 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe